NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.4944 8.3716 117.5235 52.8453 39.3713 174.1365 3 L 3.9955 8.5737 127.3838 53.6394 42.4904 174.7433 4 P 4.5173 0.0000 0.0000 62.8703 32.9569 176.4866 5 T 4.2265 9.1856 113.2121 60.7182 71.1148 175.2131 6 A 3.9536 8.5746 121.9245 56.0028 18.2301 179.5012 7 Q 4.0584 8.1424 114.8727 59.5359 28.8177 179.5620 8 E 3.9477 8.0176 119.0187 58.9594 29.3123 179.6179 9 V 3.0604 7.6535 118.6095 65.9623 31.6533 177.9215 10 Q 4.0581 8.1161 117.4500 59.0480 28.5095 179.3447 11 G 3.5218 7.8020 106.0444 47.7334 0.0000 175.9230 12 L 4.0363 7.8798 121.7391 57.7259 41.7233 179.6000 13 M 4.1625 8.3849 118.7246 58.2547 31.9125 178.6570 14 A 4.0074 7.9642 120.8877 55.2443 18.5110 179.4958 15 R 4.1234 7.9936 118.5497 58.8616 29.9552 178.2975 16 F 3.9357 8.2754 120.3281 61.5115 39.3070 177.1542 17 I 3.5265 7.6976 118.7394 64.2477 36.5858 178.2208 18 E 3.9018 7.9884 119.3510 59.3862 29.2566 179.3233 19 L 3.8639 7.8930 119.0518 57.8872 41.4674 179.8127 20 V 3.3453 7.2776 116.8849 65.7993 31.4149 177.2713 21 D 4.4216 7.9617 117.2730 57.5456 41.2575 178.4401 22 V 3.8459 7.7477 111.1924 62.1354 31.5942 177.1143 23 G 3.7996 8.1267 106.4326 46.5183 0.0000 174.8887 24 D 4.5702 7.8052 120.0444 52.1295 38.5162 175.5844 25 I 3.5552 7.6664 125.0768 64.2994 37.6556 176.7109 26 E 3.9527 8.2593 118.1048 59.7282 29.1863 179.3716 27 A 4.0223 7.9234 118.9131 55.0758 18.6280 179.5363 28 I 3.6187 7.5505 118.4243 64.6095 37.1972 178.5759 29 V 3.8121 7.9443 118.9621 66.4355 31.0750 177.9132 30 Q 4.1022 8.1407 118.1170 59.2158 29.1494 177.7463 31 M 4.2140 8.2184 119.9874 57.3122 32.0228 176.2924 32 Y 4.5626 7.1653 115.2589 57.0584 39.0951 175.4047 33 A 4.3159 8.9900 126.4819 51.7144 19.4256 178.5765 34 D 4.4499 8.8632 119.8504 55.7832 39.3164 177.7821 35 D 4.5636 7.8561 116.9414 52.4710 39.9594 175.6553 36 A 4.5231 7.9476 121.9164 53.3144 19.4011 177.4370 37 T 5.0622 8.5155 109.0875 60.0795 72.5100 173.3329 38 V 4.6705 8.4318 121.5403 61.5718 35.6854 173.5330 39 E 4.7781 9.0697 126.4848 54.7705 32.5219 174.9492 40 D 5.0161 8.2778 125.5449 52.1930 43.2116 172.8384 41 P 4.4946 0.0000 0.0000 61.6922 32.9688 175.5997 42 F 3.8520 8.8961 125.1936 60.3645 39.3139 175.3262 43 G 3.5897 8.8404 115.1140 44.9983 0.0000 174.0358 44 Q 4.5729 6.9168 112.9409 54.6096 30.1512 170.7707 45 P 5.0939 0.0000 0.0000 60.4952 35.6157 173.0814 46 P 4.6443 0.0000 0.0000 63.0834 31.6989 175.8456 47 I 4.4217 8.7223 118.4029 59.7290 40.2074 174.0016 48 H 5.1388 8.6553 122.4842 55.5698 32.7488 173.9875 49 G 4.0897 8.8310 110.3370 46.0298 0.0000 174.6810 50 R 3.9325 8.2724 119.3227 58.8819 29.9163 179.4001 51 E 3.9214 8.0671 118.7443 59.5588 29.8097 178.8127 52 Q 4.0816 8.0053 117.5586 58.8611 28.8020 178.5890 53 I 3.7434 7.9889 120.9008 64.1880 37.0169 178.2838 54 A 4.1330 8.4191 121.7263 55.1915 18.2243 179.5776 55 A 3.9589 8.1584 119.3894 55.0282 18.4296 179.6026 56 F 4.0369 8.3504 119.2421 61.8526 39.5406 177.0706 57 Y 3.6572 8.1644 116.3091 60.9179 37.4461 178.5261 58 R 4.0696 8.1851 119.0120 59.2223 30.1777 178.1362 59 Q 4.1264 7.7578 119.1279 59.0865 29.1660 178.0589 60 G 3.4882 7.5721 105.4725 45.4726 0.0000 173.7012 61 L 4.6089 7.7305 119.9997 52.6708 44.4553 176.7934 *65 K 4.1052 8.2164 122.4843 56.0542 32.4167 174.2836 66 V 4.6614 7.4040 119.0880 60.8378 35.2623 174.3975 67 R 5.0163 8.4779 122.6727 54.5513 32.8416 173.9812 68 A 5.8871 9.7210 122.3313 50.3449 22.6913 175.0444 69 C 4.8228 8.5311 113.2327 56.6976 33.2774 173.1722 70 L 4.7982 8.6466 120.9597 55.1229 41.7749 177.1140 71 T 4.5182 8.2024 111.9314 60.8334 69.3437 173.7845 72 G 4.0451 7.3498 108.6263 44.4473 0.0000 171.7504 73 P 4.4572 0.0000 0.0000 62.0963 32.0766 176.1874 74 V 3.9670 8.1374 119.8807 63.0809 32.4290 175.2045 75 R 4.6578 9.4679 127.2291 54.8545 31.6844 175.3340 76 A 5.1978 8.5417 124.7511 50.3816 22.5576 175.6162 77 S 4.7211 8.4101 114.7004 57.2752 65.4852 173.5722 78 H 4.8745 8.6789 115.8337 56.1110 29.5663 174.3531 79 N 4.9202 7.9286 117.8657 52.4681 37.6508 175.0942 80 G 3.9619 8.2561 102.7849 47.9715 0.0000 173.1344 81 C 5.4372 7.6092 115.7459 58.0277 32.0164 173.0350 82 G 4.5504 8.7402 105.3753 45.8373 0.0000 172.2267 83 A 5.9400 9.4058 122.3049 50.1362 23.2706 175.1282 84 M 5.1674 8.5888 116.0246 53.6300 34.9281 171.7157 85 P 5.4854 0.0000 0.0000 62.0259 34.2199 174.1019 86 F 5.3673 8.7258 115.9787 56.4076 41.9826 172.4516 87 R 4.9119 9.1823 118.5111 54.5207 33.6815 173.6672 88 V 4.8652 8.4817 124.6400 61.1716 34.4216 174.1901 89 E 4.9634 9.5585 127.4745 54.9142 31.3586 173.8270 90 M 5.2201 8.5828 128.4983 54.4727 34.8299 175.2881 91 V 4.7674 8.1486 116.8919 59.5846 35.5000 173.5708 *96 P 4.4518 0.0000 0.0000 62.9086 31.3525 174.8535 97 C 5.0611 8.5111 117.7460 57.5607 32.9524 174.2707 98 A 5.1220 8.4765 120.8951 50.1354 22.7284 174.8651 99 L 4.9831 8.7908 122.1480 53.4089 45.2666 175.0043 100 D 5.0696 8.5365 126.5956 53.5269 41.9963 176.2430 101 V 4.7669 8.4599 122.0321 61.3644 35.8557 173.5592 102 I 5.2671 8.7368 125.2746 59.6364 40.5950 174.4502 103 L 5.5551 9.0268 126.2326 53.0371 45.0640 175.5453 104 V 4.9133 8.8955 121.8821 61.4994 34.5158 174.2236 105 M 5.1605 9.5380 127.0117 53.4154 36.2547 174.2702 106 R 5.1187 8.5637 122.0214 54.7319 32.8408 174.8624 107 F 5.1343 9.5635 125.4512 56.1792 41.5854 174.8957 108 D 4.8882 8.5794 120.8073 51.3446 41.5429 176.9892 109 E 4.1913 8.5951 115.7084 58.6277 29.3594 177.5525 110 H 4.8979 9.4434 117.2039 55.2627 29.1602 175.3587 111 G 3.9997 8.6603 107.7539 45.9449 0.0000 173.7489 112 R 4.8389 7.8578 117.8809 53.5897 32.7381 175.3758 113 I 3.3617 7.8828 122.4614 62.1960 37.4885 176.4396 114 Q 4.3363 9.4387 129.4140 58.0523 30.5782 175.4445 115 T 5.1888 7.4065 106.7497 59.9328 72.8067 172.6077 116 M 5.2472 8.4922 121.7606 54.3653 36.2374 173.2203 117 Q 5.1168 9.2714 124.2032 54.0235 32.5042 173.9971 118 A 5.2935 9.1376 126.3299 50.5528 21.8578 174.7168 119 Y 5.0879 9.6144 121.6060 55.8829 40.0234 175.4167 120 W 4.9336 8.3931 121.7958 57.0680 30.3841 173.2453 121 S 4.4297 8.2833 113.4485 57.7616 64.8893 175.5097 122 E 4.1565 8.9054 118.8432 60.0851 29.0871 180.1050 123 V 3.7916 7.9272 110.1210 63.7441 31.8042 176.2023 124 N 4.9694 8.8309 116.7881 52.8145 39.7229 173.9603 125 L 4.8733 8.1919 121.8726 54.3329 43.8430 175.5845 126 S 4.8879 8.9168 120.0343 56.9503 68.1228 172.7669 127 V 5.0919 8.1136 122.4141 62.6590 32.8936 172.7849 *128 R 4.1274 8.4617 118.2237 56.5295 29.9981 174.6569 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.37 5.49 0.00 2.71 2.71 0.00 0.00 6.88 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.57 4.00 0.00 1.67 1.59 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.52 0.00 1.90 1.79 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 5 T 9.19 4.23 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 6 A 8.57 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.14 4.06 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 8 E 8.02 3.95 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 9 V 7.65 3.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.74 0.00 0.00 10 Q 8.12 4.06 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 11 G 7.80 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.88 4.04 0.00 1.58 1.81 0.49 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.38 4.16 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.79 0.00 14 A 7.96 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.99 4.12 0.00 2.00 2.19 0.00 3.16 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 16 F 8.28 3.94 0.00 3.27 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.70 3.53 2.02 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.78 0.93 0.00 0.00 18 E 7.99 3.90 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 19 L 7.89 3.86 0.00 1.45 1.44 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.28 3.35 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.31 0.00 0.00 21 D 7.96 4.42 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.75 3.85 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.98 0.00 0.00 23 G 8.13 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.81 4.57 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.67 3.56 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.81 0.96 0.00 0.00 26 E 8.26 3.95 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 27 A 7.92 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.55 3.62 1.81 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.14 0.00 0.00 29 V 7.94 3.81 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.04 0.00 0.00 30 Q 8.14 4.10 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.22 4.21 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.62 0.00 32 Y 7.17 4.56 0.00 3.22 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.99 4.32 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.86 4.45 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.86 4.56 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.95 4.52 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.52 5.06 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 38 V 8.43 4.67 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.78 0.00 0.00 39 E 9.07 4.78 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 40 D 8.28 5.02 0.00 2.68 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.49 0.00 1.27 0.49 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.03 0.00 42 F 8.90 3.85 0.00 2.24 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.84 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 6.92 4.57 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 1.97 2.23 0.00 45 P 0.00 5.09 0.00 1.95 1.93 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 46 P 0.00 4.64 0.00 2.06 2.08 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 47 I 8.72 4.42 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.66 0.82 0.00 0.00 48 H 8.66 5.14 0.00 3.11 3.15 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.83 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.27 3.93 0.00 1.92 2.03 0.00 3.17 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 51 E 8.07 3.92 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 52 Q 8.01 4.08 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 53 I 7.99 3.74 1.81 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.77 0.00 0.00 54 A 8.42 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.16 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.35 4.04 0.00 3.10 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.16 3.66 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.19 4.07 0.00 1.88 2.01 0.00 3.28 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 59 Q 7.76 4.13 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 60 G 7.57 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.73 4.61 0.00 1.55 1.54 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 8.22 4.11 0.00 1.73 1.78 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 66 V 7.40 4.66 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 67 R 8.48 5.02 0.00 1.81 1.95 0.00 2.78 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 68 A 9.72 5.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.53 4.82 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.65 4.80 0.00 1.61 1.86 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.20 4.52 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 72 G 7.35 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.46 0.00 2.20 2.08 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.14 3.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 75 R 9.47 4.66 0.00 1.98 1.82 0.00 3.26 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 76 A 8.54 5.20 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.41 4.72 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.68 4.87 0.00 3.15 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.93 4.92 0.00 2.84 2.89 0.00 0.00 6.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.26 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 7.61 5.44 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.74 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 9.41 5.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.59 5.17 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 85 P 0.00 5.49 0.00 2.19 2.26 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 86 F 8.73 5.37 0.00 3.27 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.18 4.91 0.00 1.96 1.75 0.00 3.03 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 88 V 8.48 4.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.12 0.00 0.00 89 E 9.56 4.96 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 90 M 8.58 5.22 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 91 V 8.15 4.77 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.96 0.00 0.00 *96 P 0.00 4.45 0.00 2.16 2.30 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 97 C 8.51 5.06 0.00 3.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.48 5.12 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.79 4.98 0.00 1.52 1.24 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.54 5.07 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.46 4.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.48 0.00 0.00 102 I 8.74 5.27 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 1.01 0.00 0.00 103 L 9.03 5.56 0.00 1.75 1.63 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.90 4.91 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.05 0.00 0.00 105 M 9.54 5.16 0.00 1.36 1.78 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 106 R 8.56 5.12 0.00 1.86 1.70 0.00 3.08 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 107 F 9.56 5.13 0.00 2.83 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.58 4.89 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.60 4.19 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 110 H 9.44 4.90 0.00 3.31 3.35 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.86 4.84 0.00 2.08 2.01 0.00 3.19 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 113 I 7.88 3.36 1.34 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.14 0.48 0.00 0.00 114 Q 9.44 4.34 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 115 T 7.41 5.19 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 116 M 8.49 5.25 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 117 Q 9.27 5.12 0.00 2.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.03 2.31 0.00 118 A 9.14 5.29 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 9.61 5.09 0.00 3.10 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.39 4.93 0.00 3.49 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.28 4.43 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.91 4.16 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 123 V 7.93 3.79 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.99 0.00 0.00 124 N 8.83 4.97 0.00 2.90 2.95 0.00 0.00 6.40 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.19 4.87 0.00 1.87 1.59 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.92 4.89 0.00 3.73 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.11 5.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 *128 R 8.46 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.